ethyl 4-[(3-chlorophenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3-chlorophenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3-chlorophenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(3-chloroanilino)-sulfanylidenemethyl]-(2-dimethylaminoethyl)amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chlorophenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(3-chlorophenyl)thiocarbamoyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H29ClN4O2S MolecularWeight: 412.97716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H29ClN4O2S/c1-4-26-19(25)23-10-8-17(9-11-23)24(13-12-22(2)3)18(27)21-16-7-5-6-15(20)14-16/h5-7,14,17H,4,8-13H2,1-3H3,(H,21,27)